4-[2-oxidanylidene-2-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]-1-piperidyl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-[1-[2-(3-thiophenyl)ethyl]-2-imidazolyl]-1-piperidinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidino]ethyl]-2H-phthalazin-1-one Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CCC3=CSC=C3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CCC3=CSC=C3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H25N5O2S/c30-22(15-21-19-3-1-2-4-20(19)24(31)27-26-21)28-11-6-18(7-12-28)23-25-9-13-29(23)10-5-17-8-14-32-16-17/h1-4,8-9,13-14,16,18H,5-7,10-12,15H2,(H,27,31)